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- URN to cite this document:
- urn:nbn:de:bvb:355-epub-785387
- DOI to cite this document:
- 10.5283/epub.78538
Iannuzzi, Marcella 
; Wilhelm, Jan ; Stein, Frederick ; Bussy, Augustin ; Elgabarty, Hossam ; Golze, Dorothea ; Hehn, Anna-Sophia ; Graml, Maximilian ; Marek, Stepan ; Gökmen, Beliz Sertcan ; Schran, Christoph ; Forbert, Harald ; Khaliullin, Rustam Z. ; Kozhevnikov, Anton ; Taillefumier, Mathieu ; Meli, Rocco ; Rybkin, Vladimir V. ; Brehm, Martin ; Schade, Robert ; Schütt, Ole ; Pototschnig, Johann V. ; Mirhosseini, Hossein ; Knüpfer, Andreas ; Marx, Dominik ; Krack, Matthias ; Hutter, Jürg ; Kühne, Thomas D.
; Wilhelm, Jan ; Stein, Frederick ; Bussy, Augustin ; Elgabarty, Hossam ; Golze, Dorothea ; Hehn, Anna-Sophia ; Graml, Maximilian ; Marek, Stepan ; Gökmen, Beliz Sertcan ; Schran, Christoph ; Forbert, Harald ; Khaliullin, Rustam Z. ; Kozhevnikov, Anton ; Taillefumier, Mathieu ; Meli, Rocco ; Rybkin, Vladimir V. ; Brehm, Martin ; Schade, Robert ; Schütt, Ole ; Pototschnig, Johann V. ; Mirhosseini, Hossein ; Knüpfer, Andreas ; Marx, Dominik ; Krack, Matthias ; Hutter, Jürg ; Kühne, Thomas D. Abstract
CP2K is a versatile open-source software package for simulations across a wide range of atomistic systems, from isolated molecules in the gas phase to low-dimensional functional materials and interfaces, as well as highly symmetric crystalline solids, disordered amorphous glasses, and weakly interacting soft-matter systems in the liquid state and in solution. This review highlights CP2K’s ...
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